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γ-Phenylpropanol
CAS: 122-97-4 | C9H12O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
122-97-4
Molecular Formula:
C9H12O
Molecular Weight:
136.194 g/mol
Names and Synonyms:
γ-Phenylpropanol
Benzenepropanol
Benzenepropanol
1-Propanol, 3-phenyl-
Hydrocinnamic alcohol
Hydrocinnamyl alcohol
3-Phenyl-n-propanol
3-Phenyl-1-propanol
3-Phenylpropanol
3-Phenylpropyl alcohol
γ-Phenylpropyl alcohol
(3-Hydroxypropyl)benzene
3-Benzenepropanol
1-Hydroxy-3-phenylpropane
NSC 16942
3-Hydroxy-1-phenylpropane
Dihydrocinnamyl alcohol
Dihydrocinnamic alcohol
Identifiers:
SMILES:
OCCCc1ccccc1
InChI:
InChI=1S/C9H12O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Molecular
Property | Value | Source |
---|---|---|
Molecular Weight | 136.194 g/mol | RDKit |
Exact
Property | Value | Source |
---|---|---|
Exact Molecular Weight | 136.088815004 g/mol | RDKit |
Heavy
Property | Value | Source |
---|---|---|
Heavy Atom Count | 10 count | RDKit |
Hydrogen
Property | Value | Source |
---|---|---|
Hydrogen Bond Acceptors | 1 count | RDKit |
Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
Property | Value | Source |
---|---|---|
Rotatable Bonds | 3 count | RDKit |
Aromatic
Property | Value | Source |
---|---|---|
Aromatic Ring Count | 1 count | RDKit |
Topological
Property | Value | Source |
---|---|---|
Topological Polar Surface Area | 20.23 Ų | RDKit |
Physical Properties
Property | Value | Source |
---|---|---|
LogP | 1.6115 | RDKit |
molecular_mass | 136.19 g/mol | Legacy Database |
density | 1.01 g/cm³ | Legacy Database |
cas-boiling-point | 235 °C None | Legacy Database |
cas-canonical-smile | OCCCC=1C=CC=CC1 None | Legacy Database |
cas-density | 1.006 g/cm3 @ Temp: 24 °C None | Legacy Database |
cas-inchi | InChI=1S/C9H12O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2 None | Legacy Database |
cas-inchi-key | InChIKey=VAJVDSVGBWFCLW-UHFFFAOYSA-N None | Legacy Database |
cas-melting-point | <-18 °C None | Legacy Database |
cas-name | Benzenepropanol None | Legacy Database |
Molar
Property | Value | Source |
---|---|---|
Molar Refractivity | 41.848800000000026 | RDKit |